4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol

C16H18O3 — CID 101303274

IUPAC4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1ccc(CC)c(-c2ccc(O)c(O)c2)c1O
InChIInChI=1S/C16H18O3/c1-3-10-5-6-11(4-2)16(19)15(10)12-7-8-13(17)14(18)9-12/h5-9,17-19H,3-4H2,1-2H3
InChIKeyWPHVOPYBUCLNBZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds3

About 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol

4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol (PubChem CID 101303274) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol
PubChem CID101303274
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1ccc(CC)c(-c2ccc(O)c(O)c2)c1O
InChIInChI=1S/C16H18O3/c1-3-10-5-6-11(4-2)16(19)15(10)12-7-8-13(17)14(18)9-12/h5-9,17-19H,3-4H2,1-2H3
InChIKeyWPHVOPYBUCLNBZ-UHFFFAOYSA-N
XLogP3.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
CID 101302818
4-ethyl-3-(3-ethylphenyl)benzene-1,2-diol
CID 101302577
4-(2,6-diethylphenyl)-2-methylphenol
CID 154385947
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
CID 101299442
2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
CID 151136569
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
2,3-ditert-butyl-4-ethylphenol
CID 18994457
3-(3,5-diethylphenyl)-5-ethylbenzene-1,2,4-triol
CID 101303357
4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303074
4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
CID 101299642
4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide
CID 174769014

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol?
The IUPAC name of 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol (CID 101303274) is 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol.
What is the SMILES notation for 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol?
The canonical SMILES for 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol is CCc1ccc(CC)c(-c2ccc(O)c(O)c2)c1O.
What is the InChIKey of 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol?
The InChIKey is WPHVOPYBUCLNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-10-5-6-11(4-2)16(19)15(10)12-7-8-13(17)14(18)9-12/h5-9,17-19H,3-4H2,1-2H3.
What are the key properties of 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol?
4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol has a molecular weight of 258.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol is sourced from PubChem (CID 101303274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).